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pressure impl based on CDFT
.github/workflows/python-package.yml #75: Commit 92b1889 pushed by 2AUK
July 5, 2023 18:01 8m 57s pc+
pc+
July 5, 2023 18:01 8m 57s
working on pressure impl
.github/workflows/python-package.yml #74: Commit ef73a97 pushed by 2AUK
July 5, 2023 15:54 8m 5s pc+
pc+
July 5, 2023 15:54 8m 5s
Getting similar results on archie for isotherm
.github/workflows/python-package.yml #73: Commit 2834473 pushed by 2AUK
July 4, 2023 17:03 8m 30s pc+
pc+
July 4, 2023 17:03 8m 30s
relatively correct isotherm comp (0.05 off)
.github/workflows/python-package.yml #72: Commit 4ee73a4 pushed by 2AUK
July 4, 2023 15:42 9m 12s pc+
pc+
July 4, 2023 15:42 9m 12s
matched params to amber tests
.github/workflows/python-package.yml #71: Commit e085d14 pushed by 2AUK
July 4, 2023 12:28 9m 8s pc+
pc+
July 4, 2023 12:28 9m 8s
implementing diff forms of isotherm comp
.github/workflows/python-package.yml #70: Commit 2ff163f pushed by 2AUK
July 4, 2023 12:25 13m 48s pc+
pc+
July 4, 2023 12:25 13m 48s
working isothermal compressibility
.github/workflows/python-package.yml #69: Commit c23c684 pushed by 2AUK
June 22, 2023 14:53 13m 58s pc+
pc+
June 22, 2023 14:53 13m 58s
putting in asserts for builder test
.github/workflows/python-package.yml #68: Commit 9b1e66f pushed by 2AUK
June 13, 2023 12:23 58s API_recomp
June 13, 2023 12:23 58s
setting up builder tests
.github/workflows/python-package.yml #67: Commit 159abc2 pushed by 2AUK
June 1, 2023 14:40 56s API_recomp
June 1, 2023 14:40 56s
Merge remote-tracking branch 'origin/API_recomp' into API_recomp
.github/workflows/python-package.yml #66: Commit 4ad06ed pushed by 2AUK
June 1, 2023 14:26 52s API_recomp
June 1, 2023 14:26 52s
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